#------------------------------------------------------------------------------
#$Date: 2014-07-11 15:35:18 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/17/1001799.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1001799
_chemical_name_systematic          'Cadmium tungstate'
_chemical_formula_structural       'Cd (W O4)'
_chemical_formula_sum              'Cd O4 W'
_publ_section_title
;
Vibrational and XRD study of the system Cd W O4 - Cd Mo O4
;
loop_
_publ_author_name
  'Daturi, M'
  'Busca, G'
  'Borel, M M'
  'Leclaire, A'
  'Piaggio, P'
_journal_name_full                 'Journal of Physical Chemistry'
_journal_coden_ASTM                JPCHAX
_journal_volume                    101
_journal_year                      1997
_journal_page_first                4358
_journal_page_last                 4369
_cell_length_a                     5.026(1)
_cell_length_b                     5.078(1)
_cell_length_c                     5.867(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  91.47(1)
_cell_volume                       149.7
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 1 2/b'
_symmetry_Int_Tables_number        13
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2-y,z'
  '-x,-y,-z'
  'x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  W6+    6.000
  Cd2+   2.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  W1    W6+    2 e 0. 0.25 0.1784(3) 1.  0 d
  Cd1   Cd2+   2 f 0.5 0.75 0.3020(5) 1.  0 d
  O1    O2-    4 g 0.189(2) 0.454(3) 0.901(2) 1.  0 d
  O2    O2-    4 g 0.250(2) 0.393(3) 0.360(2) 1.  0 d
_refine_ls_R_factor_all            0.054
_cod_database_code 1001799
_journal_paper_doi 10.1021/jp963008x